Assignment w1 w2 R2H-N 120.592 8.225 K3H-N 123.786 8.612 L4H-N 124.439 7.997 L5H-N 123.855 7.815 T6H-N 118.336 7.977 Y7H-N 127.405 9.306 Q8H-N 127.374 7.622 Q8HE21-NE2 111.943 7.482 Q8HE22-NE2 111.943 6.788 V9H-N 125.563 8.541 K10H-N 130.756 9.128 Q11H-N 122.162 8.869 Q11HE21-NE2 112.357 6.918 Q11HE22-NE2 112.357 7.584 G12H-N 115.12 8.929 D13H-N 120.996 7.849 T14H-N 111.389 9.095 L15H-N 121.907 9.032 N16H-N 111.847 8.02 N16HD21-ND2 112.749 7.02 N16HD22-ND2 112.749 7.71 S17H-N 121.438 8.736 I18H-N 127.026 8.333 A19H-N 120.636 7.81 A20H-N 118.096 7.789 D21H-N 121.768 8.534 F22H-N 113.513 7.836 R23H-N 115.912 7.763 I24H-N 114.171 8.429 S25H-N 115.882 8.204 T26H-N 114.472 8.922 A27H-N 123.026 8.066 A28H-N 121.711 8.09 L29H-N 119.581 7.682 L30H-N 119.94 8.367 Q31H-N 119.12 8.141 Q31HE21-NE2 111.494 7.444 Q31HE22-NE2 111.494 6.8 A32H-N 116.528 7.214 N33H-N 113.671 7.337 N33HD21-ND2 119.141 9.167 N33HD22-ND2 119.141 7.86 S35H-N 113.498 8.497 L36H-N 121.917 8.272 Q37H-N 119.864 7.871 Q37HE21-NE2 111.475 6.87 Q37HE22-NE2 111.475 7.511 A38H-N 119.384 7.626 G39H-N 107.456 7.51 L40H-N 121.425 8.252 T41H-N 119.844 8.553 A42H-N 127.814 8.656 G43H-N 111.425 8.914 Q44H-N 120.836 7.613 Q44HE21-NE2 109.251 7.359 Q44HE22-NE2 109.251 6.635 S45H-N 118.324 8.633 I46H-N 121.111 9.237 V47H-N 119.361 9.298 I48H-N 124.637 8.236 G50H-N 105.931 8.057 L51H-N 122.104 7.228 D53H-N 116.527 7.571 Y55H-N 115.98 8.343 T56H-N 109.682 8.028 I57H-N 126.121 7.399 Y59H-N 119.859 6.603 H60H-N 117.27 8.568 I61H-N 126.205 8.484 A62H-N 129.267 8.959 V63H-N 126.741 9.492 S64H-N 122.156 8.749 I65H-N 128.11 8.713 G66H-N 107.502 8.512 A67H-N 120.11 7.632 K68H-N 114.437 7.723 T69H-N 107.396 7.626 L70H-N 125.265 9.423 T71H-N 123.471 9.662 L72H-N 131.482 9.338 S73H-N 123.898 9.299 L74H-N 123.317 8.716 N75H-N 125.2 9.062 N75HD21-ND2 113.433 7.615 N75HD22-ND2 113.433 6.919 N76H-N 111.128 9.181 N76HD21-ND2 113.587 7.559 N76HD22-ND2 113.587 6.906 R77H-N 120.285 7.83 V78H-N 126.524 8.749 M79H-N 127.42 9.649 K80H-N 117.315 7.722 T81H-N 118.003 8.003 Y82H-N 125.305 9.631 I84H-N 109.255 7.353 A85H-N 120.473 9.31 V86H-N 113.463 7.799 G87H-N 114.445 8.494 K88H-N 123.208 7.529 I89H-N 119.638 8.803 L90H-N 119.84 7.483 T91H-N 110.302 7.881 Q92H-N 118.09 7.731 Q92HE21-NE2 111.812 6.915 Q92HE22-NE2 111.812 7.505 T93H-N 114.152 7.41 T95H-N 112.422 7.841 G96H-N 110.496 8.271 E97H-N 119.75 7.671 F98H-N 123.047 9.024 Y99H-N 116.23 8.39 I100H-N 121.279 8.382 I101H-N 122.953 8.63 N102H-N 113.811 7.595 N102HD21-ND2 114.122 8.051 N102HD22-ND2 114.122 6.976 R103H-N 113.874 8.566 Q104H-N 120.6 9.517 Q104HE21-NE2 111.308 6.685 Q104HE22-NE2 111.308 7.406 R105H-N 127.921 8.816 N106H-N 120.342 7.83 N106HD21-ND2 112.136 7.558 N106HD22-ND2 112.136 6.758 G108H-N 105.59 7.998 G109H-N 108.287 8.487 F111H-N 115.916 7.108 G112H-N 104.056 7.147 A113H-N 121.416 7.778 Y114H-N 120.374 7.928 W115H-N 118.29 8.585 W115HE1-NE1 132.41 10.244 L116H-N 129.545 9.328 S117H-N 119.69 8.404 L118H-N 123.137 7.958 S119H-N 113.987 7.596 K120H-N 121.864 8.133 Q121H-N 127.788 8.768 Q121HE21-NE2 112.612 7.507 Q121HE22-NE2 112.612 6.937 H122H-N 114.22 8.515 Y123H-N 119.051 8.756 G124H-N 108.446 7.431 I125H-N 120.702 8.333 H126H-N 123.924 8.879 H126HD1-ND1 167.954 13.165 G127H-N 106.721 8.39 T128H-N 109.428 7.734 N129H-N 122.002 7.641 N129HD21-ND2 109.767 6.881 N129HD22-ND2 109.767 7.475 N130H-N 118.405 9.282 N130HD21-ND2 110.486 6.926 N130HD22-ND2 110.486 7.672 A132H-N 118.679 7.739 S133H-N 111.809 7.873 I134H-N 119.396 6.853 G135H-N 113.57 6.819 K136H-N 118.409 7.569 A137H-N 123.21 8.334 V138H-N 116.542 8.319 S139H-N 114.979 8.378 K140H-N 120.057 8.078 G141H-N 109.285 9.032 C142H-N 127.921 12.395 I143H-N 126.203 7.486 R144H-N 129.984 8.06 M145H-N 124.458 8.967 H146H-N 115.984 9.49 N147H-N 123.333 9.286 N147HD21-ND2 116.238 7.993 N147HD22-ND2 116.238 7.374 K148H-N 116.843 9.245 D149H-N 120.09 6.77 V150H-N 120.655 8.289 I151H-N 123.247 7.915 E152H-N 121.124 7.389 L153H-N 121.069 8.625 A154H-N 118.915 8.487 S155H-N 110.388 7.485 I156H-N 121.408 7.364 V157H-N 110.508 7.463 N159H-N 121.441 9.113 N159HD21-ND2 112.128 7.735 N159HD22-ND2 112.128 6.979 G160H-N 111.469 9.814 T161H-N 113.954 7.05 R162H-N 126.944 8.822 V163H-N 124.912 8.97 T164H-N 123.214 9.279 I165H-N 126.532 9.11 N166H-N 124.64 8.998 N166HD21-ND2 113.525 7.501 N166HD22-ND2 113.525 6.992 R167H-N 122.598 8.835 G168H-N 108.483 8.542 S169H-N 115.546 8.296 H171H-N 125.398 8.084 H172H-N 125.204 7.958